SCHEMBL29694834

SCHEMBL29694834

COC(=O)c1cnc(C)cc1-c1cccc(C#N)c1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 14/20 0.53
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30640246 1.00 POLQ (0.53) POLQJAK1TYK2GAASMN1; SMN2
SCHEMBL24501141 1.00 POLQ (0.53) POLQJAK1TYK2GAASMN1; SMN2
SCHEMBL30526713 0.89 POLQ (0.52) POLQJAK1TYK2
SCHEMBL24501153 0.89 POLQ (0.52) POLQJAK1TYK2
SCHEMBL30526580 0.88 POLQ (0.62) POLQGAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL25310101 0.88 POLQ (0.62) POLQGAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL24501140 0.84 POLQ (0.49) POLQ
SCHEMBL25307178 0.83 SMN1; SMN2 (0.49) POLQGAASMN1; SMN2ALDH1A1
SCHEMBL30526539 0.83 SMN1; SMN2 (0.49) POLQGAASMN1; SMN2ALDH1A1
SCHEMBL25261934 0.82 POLQ (0.48) POLQJAK1TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 — — EP disclosed
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
EP-4255573-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2023-10-11 — — EP disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 — — WO disclosed
WO-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 — — WO disclosed
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